2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide

C19H21N3O7 — CID 55460788

IUPAC2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
SMILESCCCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C19H21N3O7/c1-3-9-28-17-11-14(16(22(26)27)12-18(17)29-10-4-2)20-19(23)13-7-5-6-8-15(13)21(24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)
InChIKeyRILVNQODYOUECW-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.33
Rot. Bonds10

About 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide

2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide (PubChem CID 55460788) has the molecular formula C19H21N3O7 and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide.

Molecular Properties

Compound Name2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
PubChem CID55460788
Molecular FormulaC19H21N3O7
Molecular Weight403.39 g/mol
Exact Mass403.14
IUPAC Name2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
SMILESCCCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCCC
InChIInChI=1S/C19H21N3O7/c1-3-9-28-17-11-14(16(22(26)27)12-18(17)29-10-4-2)20-19(23)13-7-5-6-8-15(13)21(24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23)
InChIKeyRILVNQODYOUECW-UHFFFAOYSA-N
XLogP4.33
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17134030
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-nitrobenzamide
CID 46657865
N-[2,5-diethoxy-4-(pentanoylamino)phenyl]-2-nitrobenzamide
CID 3193321
5-bromo-N'-(2-nitrobenzoyl)-2-propoxybenzohydrazide
CID 17351738
4-methyl-N-(2-nitro-4,5-dipropoxyphenyl)-1,3-thiazole-5-carboxamide
CID 60531309
N-(2-nitro-4,5-dipropoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134026408
N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
CID 86912988
N-(2-nitro-4,5-dipropoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 56506850
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-nitro-4,5-dipropoxyphenyl)acetamide
CID 55461123

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide?
The IUPAC name of 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide (CID 55460788) is 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide.
What is the SMILES notation for 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide?
The canonical SMILES for 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide is CCCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1OCCC.
What is the InChIKey of 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide?
The InChIKey is RILVNQODYOUECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O7/c1-3-9-28-17-11-14(16(22(26)27)12-18(17)29-10-4-2)20-19(23)13-7-5-6-8-15(13)21(24)25/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,23).
What are the key properties of 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide?
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide has a molecular weight of 403.39 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide is sourced from PubChem (CID 55460788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).